Mg Segregation atHeterophase Interfaces on an Atomic Scale: Experiments and Computations
- 18 July 2003
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 91 (3), 036101
- https://doi.org/10.1103/physrevlett.91.036101
Abstract
Microscopic factors governing solute partitioning in ternary two-phase Al-Sc-Mg alloys are in- vestigated combining three-dimensional-atom-probe (3DAP) miscroscopy measurements with first- principles computations. 3DAP is employed to measure composition profiles with subnanometer-scale resolution, leading to the identification of a large enhancement of Mg solute at the coherent � -Al=Al3Sc (fcc=L12) heterophase interface. First-principles calculations establish an equilibrium driving force for this interfacial segregation reflecting the nature of the interatomic interactions.Keywords
This publication has 20 references indexed in Scilit:
- Precipitation of Al3Sc in binary Al–Sc alloysMaterials Science and Engineering: A, 2001
- Nanoscale structural evolution of Al3Sc precipitates in Al(Sc) alloysActa Materialia, 2001
- Large Vibrational Effects upon Calculated Phase Boundaries in Al-ScPhysical Review Letters, 2001
- First-principles interatomic potentials for transition-metal aluminides: Theory and trends across theseriesPhysical Review B, 1997
- Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis setPhysical Review B, 1996
- Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germaniumPhysical Review B, 1994
- Constant-volume pair potential for Al–transition-metal compoundsPhysical Review B, 1993
- Ab initiomolecular dynamics for liquid metalsPhysical Review B, 1993
- Equilibrium segregation and interfacial energy in multicomponent systemsActa Metallurgica et Materialia, 1991
- Tracer Diffusion of Magnesium in Aluminum Single CrystalsPhysica Status Solidi (b), 1974